[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C13H8BrN3O3S MolecularWeight: 366.18992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C#N)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CSC(=C1C#N)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C13H8BrN3O3S/c14-10-3-9(5-16-6-10)13(19)20-7-11(18)17-12-8(4-15)1-2-21-12/h1-3,5-6H,7H2,(H,17,18)